methyl 8-hydroxy-7-methylnonanoate

C11H22O3 — CID 90765466

IUPACmethyl 8-hydroxy-7-methylnonanoate
SMILESCOC(=O)CCCCCC(C)C(C)O
InChIInChI=1S/C11H22O3/c1-9(10(2)12)7-5-4-6-8-11(13)14-3/h9-10,12H,4-8H2,1-3H3
InChIKeyZRPARHRAKZILJX-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.13
Rot. Bonds7

About methyl 8-hydroxy-7-methylnonanoate

methyl 8-hydroxy-7-methylnonanoate (PubChem CID 90765466) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is methyl 8-hydroxy-7-methylnonanoate.

Molecular Properties

Compound Namemethyl 8-hydroxy-7-methylnonanoate
PubChem CID90765466
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Namemethyl 8-hydroxy-7-methylnonanoate
SMILESCOC(=O)CCCCCC(C)C(C)O
InChIInChI=1S/C11H22O3/c1-9(10(2)12)7-5-4-6-8-11(13)14-3/h9-10,12H,4-8H2,1-3H3
InChIKeyZRPARHRAKZILJX-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (7R)-7-hydroxyoctanoate
CID 13111883
methyl 9-hydroxydecanoate
CID 530430
methyl 14-hydroxypentadecanoate
CID 13111893
methyl 18,18-dihydroxyoctadecanoate
CID 151355235
methyl 21-methyldocosanoate
CID 14178788
methyl (9R,10R,11R,12S,13S,14R,15S,16R)-9,10,11,12,13,14,15,16,17-nonamethyloctadecanoate
CID 153434814
dimethyl 4-methyltetradecanedioate
CID 87116988
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
dimethyl 3-methylnonadecanedioate
CID 89439795
methyl (18R)-18-methylicosanoate
CID 102237844

Frequently Asked Questions

What is the IUPAC name of methyl 8-hydroxy-7-methylnonanoate?
The IUPAC name of methyl 8-hydroxy-7-methylnonanoate (CID 90765466) is methyl 8-hydroxy-7-methylnonanoate.
What is the SMILES notation for methyl 8-hydroxy-7-methylnonanoate?
The canonical SMILES for methyl 8-hydroxy-7-methylnonanoate is COC(=O)CCCCCC(C)C(C)O.
What is the InChIKey of methyl 8-hydroxy-7-methylnonanoate?
The InChIKey is ZRPARHRAKZILJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-9(10(2)12)7-5-4-6-8-11(13)14-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of methyl 8-hydroxy-7-methylnonanoate?
methyl 8-hydroxy-7-methylnonanoate has a molecular weight of 202.29 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-hydroxy-7-methylnonanoate is sourced from PubChem (CID 90765466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).